BDBM50177769 CHEMBL198842::[1-(3-{2-[3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-8-azabicyclo[3.2.1]oct-8-yl]-ethylcarbamoyl}-propyl)-11,11-dimethyl-2,3,4,11-tetrahydro-1H-naphtho[2,3-g]quinolin-9-ylidene]-dimethyl-ammonium perchlorate

SMILES: COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1

InChI Key: InChIKey=HYQGUXVDIWGTKN-UHFFFAOYSA-O

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50177769   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50177769 (CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]CFT from human DAT expressed in COS7 cells				J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50177769 (CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human SERT expressed in COS7 cells				J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50177769 (CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]dopamine from human DAT expressed in COS7 cells				J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50177769 (CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]dopamine from human NET expressed in COS7 cells				J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM
					More data for this Ligand-Target Pair